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Perfluorooctyl iodide

Perfluorooctyl iodide structure

CAS No:
507-63-1
Formula:
C8F17I
Chemical Name:
Perfluorooctyl iodide
Synonyms:
Octane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-;Octane,heptadecafluoro-1-iodo-;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane;Heptadecafluoro-1-iodooctane;1-Iodoperfluorooctane;Perfluorooctyl iodide;Perfluoro-1-iodooctane;1-Iodoheptadecafluorooctane;Perfluoro-n-octyl iodide;1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-iodooctane;Telomer AN;Heptadecafluoro-n-octyl iodide
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear light pink liquid after melting

Liquid

Perfluorooctyl iodide Basic Attributes

Molecular Weight：

545.96

Exact Mass：

545.96

BRN：

1717141

EC Number：

208-079-5

UNII：

072985Y799

DSSTox ID：

DTXSID0060147

HScode：

29037800

Characteristics

PSA：

XLogP3：

6.8

Appearance：

Clear colorless to yellow or light pink Liquid After Melting

Density：

2.0±0.1 g/cm3

Melting Point：

20.8 °C

Boiling Point：

163 °C

Flash Point：

160-161°C

Refractive Index：

1.324

Storage Conditions：

Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Dark room.

Toxicity：

LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2922

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

RG9700050

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (56.82%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 94 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)|Agents that increase energy expenditure and weight loss by neural and metabolic regulation. (See all compounds classified as Anti-Obesity Agents.)|Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

MeSH Entry Terms：

AF0144

Perfluorooctyl iodide Use and Manufacturing

Uses

Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:545.96
XLogP3:6.8
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:6
Exact Mass:545.87733
Monoisotopic Mass:545.87733
Heavy Atom Count:26
Complexity:527
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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